4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole

C15H19FN2 — CID 82792591

IUPAC4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
SMILESFc1cccc2c1ccn2CCCN1CCCC1
InChIInChI=1S/C15H19FN2/c16-14-5-3-6-15-13(14)7-12-18(15)11-4-10-17-8-1-2-9-17/h3,5-7,12H,1-2,4,8-11H2
InChIKeyIVHZEUIVYJCRIU-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.27
Rot. Bonds4

About 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole

4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole (PubChem CID 82792591) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole.

Molecular Properties

Compound Name4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
PubChem CID82792591
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
SMILESFc1cccc2c1ccn2CCCN1CCCC1
InChIInChI=1S/C15H19FN2/c16-14-5-3-6-15-13(14)7-12-18(15)11-4-10-17-8-1-2-9-17/h3,5-7,12H,1-2,4,8-11H2
InChIKeyIVHZEUIVYJCRIU-UHFFFAOYSA-N
XLogP3.27
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole?
The IUPAC name of 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole (CID 82792591) is 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole.
What is the SMILES notation for 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole?
The canonical SMILES for 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole is Fc1cccc2c1ccn2CCCN1CCCC1.
What is the InChIKey of 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole?
The InChIKey is IVHZEUIVYJCRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c16-14-5-3-6-15-13(14)7-12-18(15)11-4-10-17-8-1-2-9-17/h3,5-7,12H,1-2,4,8-11H2.
What are the key properties of 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole?
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole has a molecular weight of 246.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole is sourced from PubChem (CID 82792591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).